Skip to content

2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H18ClN3OS — CID 119671103

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCc1cccc(C)c1NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-3-10-6-4-5-9(2)13(10)17-14(18)11-8-19-12(7-15)16-11;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H
InChIKeyNAHPCLWVGUTLRQ-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.15
Rot. Bonds4

About 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119671103) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119671103
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCc1cccc(C)c1NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-3-10-6-4-5-9(2)13(10)17-14(18)11-8-19-12(7-15)16-11;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H
InChIKeyNAHPCLWVGUTLRQ-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119671103) is 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CCc1cccc(C)c1NC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is NAHPCLWVGUTLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-3-10-6-4-5-9(2)13(10)17-14(18)11-8-19-12(7-15)16-11;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119671103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.